CAS No.5586-70-9,1,6-HEXANE DIISOTHIOCYANATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5586-70-9
Name:	1,6-HEXANE DIISOTHIOCYANATE
Article Data:	18

Formula:	C₈H₁₂N₂S₂
Molecular Weight:	200.329
Synonyms:	Isothiocyanicacid, hexamethylene ester (6CI,7CI,8CI);1,6-Diisothiocyanatohexane;1,6-Hexanediisothiocyanate;Hexamethylene diisothiocyanate;NSC 202579;
Density:	1.06 g/cm³
Melting Point:	183oC
Boiling Point:	326.8 °C at 760 mmHg
Flash Point:	158.5 °C
PSA:	88.90000
LogP:	2.75240

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Specification

The Hexane,1,6-diisothiocyanato- is an organic compound with the formula C₈H₁₂N₂S₂. The IUPAC name of this chemical is 1,6-diisothiocyanatohexane. With the CAS registry number 5586-70-9, it is also named as Hexamethylene diisothiocyanate.

Physical properties about Hexane,1,6-diisothiocyanato- are: (1)ACD/LogP: 3.25; (2)ACD/LogD (pH 5.5): 3.25; (3)ACD/LogD (pH 7.4): 3.25; (4)ACD/BCF (pH 5.5): 172.94; (5)ACD/BCF (pH 7.4): 172.94; (6)ACD/KOC (pH 5.5): 1391.53; (7)ACD/KOC (pH 7.4): 1391.53; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 88.9 Å²; (11)Index of Refraction: 1.552; (12)Molar Refractivity: 60.17 cm³; (13)Molar Volume: 188 cm³; (14)Polarizability: 23.85×10^-24cm³; (15)Surface Tension: 35.8 dyne/cm; (16)Density: 1.06 g/cm³; (17)Flash Point: 158.5 °C; (18)Enthalpy of Vaporization: 54.65 kJ/mol; (19)Boiling Point: 326.8 °C at 760 mmHg; (20)Vapour Pressure: 0.0004 mmHg at 25°C.

Preparation of Hexane,1,6-diisothiocyanato-: this chemical can be prepared by carbon disulfide and hexane-1,6-diamine. This reaction will need reagent aqueous NaOH-solution.

Hexane,1,6-diisothiocyanato- can be prepared by carbon disulfide and hexane-1,6-diamine

Uses of Hexane,1,6-diisothiocyanato-: it can be used to produce 1,6-bis<1-<3-(1-deoxy-D-glucit-1-yl)>thioureido>hexane at ambient temperature. It will need solvents H₂O, dioxane with reaction time of 4 days. The yield is about 20%.

Hexane,1,6-diisothiocyanato- and 1-amino-1-deoxy-D-glucitol can be used to produce 1,6-diisothiocyanato-hexane 1,6-bis<1-<3-(1-deoxy-D-glucit-1-yl)>thioureido>hexane

You can still convert the following datas into molecular structure:
(1)SMILES: S=C=N\CCCCCC/N=C=S
(2)InChI: InChI=1/C8H12N2S2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2
(3)InChIKey: VZZPYUKWXDLMGI-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H12N2S2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2
(5)Std. InChIKey: VZZPYUKWXDLMGI-UHFFFAOYSA-N